CID 5353376

110683-10-8

Structural Information

Molecular Formula
C21H23NO3
SMILES
CCCCCC1=CC=C(C=C1)/C=C/C(=O)NC2=CC=CC=C2C(=O)O
InChI
InChI=1S/C21H23NO3/c1-2-3-4-7-16-10-12-17(13-11-16)14-15-20(23)22-19-9-6-5-8-18(19)21(24)25/h5-6,8-15H,2-4,7H2,1H3,(H,22,23)(H,24,25)/b15-14+
InChIKey
GAMRBCZMOOMBSQ-CCEZHUSRSA-N
Compound name
2-[[(E)-3-(4-pentylphenyl)prop-2-enoyl]amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

40
References

67
Patents

337.1678 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.17508 183.9
[M+Na]+ 360.15702 195.3
[M+NH4]+ 355.20162 189.7
[M+K]+ 376.13096 187.9
[M-H]- 336.16052 186.9
[M+Na-2H]- 358.14247 189.9
[M]+ 337.16725 186.1
[M]- 337.16835 186.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe